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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 271 records · Page 15

Integrated System Planning: Emerging Software Requirements in the Power Industry

Power system planning software remains fragmented across organizational boundaries, with specialized tools for capacity expansion, production cost modeling, power flow, and dynamic analysis operating on incompatible data models and assumptions. This article argues that the fragmentation is not merely a technical problem but a predictable consequence of Conway's law: software architectures mirror the departmental structures within which they are developed. Regulatory milestones like Federal Energy Regulatory Commission (FERC) Order 888 formalized these divisions, but the roots trace back to the distinct engineering disciplines-mechanical, chemical, and electrical-that staffed generation and transmission planning departments in vertically integrated utilities. As the industry moves toward integrated system planning (ISP) that coordinates generation, transmission, and distribution investment decisions, the software ecosystem must evolve accordingly. We identify five categories of software requirements to enable this transition: coherent data inputs decoupled from individual applications, unified and extensible data schemas, modular component representations that support multiple abstraction levels, lifecycle management of planning datasets, and well-defined application programming interface (API) contracts that separate data exchange from algorithmic control. We examine how these requirements interact with three common workflow patterns-serial gate clearing, sequential multiapplication, and convergence oriented-and discuss the interface design principles each demands. We then outline a vision for platform-based planning architectures where specialized analytical services compose through standardized interfaces and where artificial intelligence (AI)/machine learning (ML) tools augment decision support within a disciplined software infrastructure. The practices proposed here offer a path from today's siloed tool collections toward collaborative planning ecosystems capable of handling the complexity of modern power system transformation.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Synthetic Data Generation Using Machine Learning

Robust machine learning techniques for image analysis require a substantial amount of data to yield confident results. In the nuclear domain, data scarcity is a substantial challenge because there are so few facilities worldwide. This research focuses on being able alleviate the data scarcity problem by generating synthetic data to bridge the gap between large and small datasets. This work achieves that goal using a Generative Adversarial Network (GAN) architectural approach, by training a model on real-world data and expands that small dataset through synthetic data amendments. Model performance is impacted by the size of the real-world dataset and the number of training epochs utilized. This means that 1) It is important to develop your GAN to be optimized with the specific data type, and 2) approaches taken when training the GAN should be specialized to encompass important aspects of the dataset that it is generating. By taking a step to improve dataset sizes in this way, the gap between models trained by parties with significant amount of data and those without access to large data, closes, allowing for robust analyses of satellite imagery for nuclear domain applications.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Foundation Models for Zero-Shot Segmentation of Scientific Images without AI-Ready Data

Zero-shot and prompt-based models have excelled at visual reasoning tasks by leveraging large-scale natural image corpora, but they often fail on sparse and domain-specific scientific image data. We introduce Zenesis, a no-code interactive computer vision platform designed to reduce data readiness bottlenecks in scientific imaging workflows. Zenesis integrates lightweight multimodal adaptation for zero-shot inference on raw scientific data, human-in-the-loop refinement, and heuristic-based temporal enhancement. We validate our approach on Focused Ion Beam Scanning Electron Microscopy (FIB-SEM) datasets of catalyst-loaded membranes. Zenesis outperforms baselines, achieving an average accuracy of 0.947, Intersection over Union (IoU) of 0.858, and Dice score of 0.923 on amorphous catalyst samples; and 0.987 accuracy, 0.857 IoU, and 0.923 Dice on crystalline samples. These results represent a significant performance gain over conventional methods such as Otsu thresholding and standalone models like the Segment Anything Model (SAM). Zenesis enables effective image segmentation in domains where annotated datasets are limited, offering a scalable solution for scientific discovery.

Mukherjee, Shubhabrata↗

Deep learning of experimental electrochemistry for battery cathodes across diverse compositions

Artificial intelligence (AI) has emerged as a tool for discovering and optimizing novel battery materials. However, the adoption of AI in battery cathode representation and discovery is still limited due to the complexity of optimizing multiple performance properties and the scarcity of high-fidelity data. Here, we present a machine learning model (DRXNet) for battery informatics and demonstrate the application in the discovery and optimization of disordered rocksalt (DRX) cathode materials. We have compiled the electrochemistry data of DRX cathodes over the past 5 years, resulting in a dataset of more than 19,000 discharge voltage profiles on diverse chemistries spanning 14 different metal species. Learning from this extensive dataset, our DRXNet model can capture critical features in the cycling curves of DRX cathodes under various conditions. Our approach offers a data-driven solution to facilitate the rapid identification of novel cathode materials, accelerating the development of next-generation batteries for carbon neutralization.

25 ENERGY STORAGE↗

Deep Analysis Net with Causal Embedding for Coal-fired Power Plant Fault Detection and Diagnosis (DANCE4CFDD)

Fault detection and diagnosis is critical to power plant operation to ensure attaining high reliability while reducing operation cost. As more renewable power is introduced to the power grid, traditional fossil power plants take on the extra burden of excessive load cycling to compensate the generation variability from renewable power. Such load cycling will pose more reliability challenges to power plant operation. There are a number of challenges faced by today’s asset health management system in coal- fired (or gas) power plants: 1) high-dimensional nonlinear interaction among multiple time series measurements; 2) high measurement variance induced by operational conditions/modes; 3) variation among asset types and plant configurations; and 4) a small number of faulty events to learn from. To cope with these challenges, today’s fielded asset health management systems rely heavily on manual efforts from domain experts and hand-crafted features or rules based on domain knowledge. Despite its role in plant reliability, such a practice is costly and hinders its scalability and sustainability, particularly when a plant undergoes modifications. The objective of this project is to develop a novel end-to-end AI learning system that is trainable (i.e., the AI representation of a complex system behavior can be directly learned from properly labeled data) for accurate fault detection and root cause analysis. The ability to create a fault detection model directly from time series could alleviate the efforts associated with today’s asset management solution development. In the course of this project, we have achieved the following: Created an AI model development environment incorporating state-of-the-art neural network architectures for rapid model development and evaluation; Developed novel learning strategies for training of fault detection model; Developed special-purpose neural network architecture embedded with variable association graph aiming for better interpretability; Developed a learning strategy to leverage a small number of faulty events for enhanced fault detection capability; Conducted detailed experimental study based on public benchmark datasets and demonstrated the effectiveness of the proposed solution; and Validated the developed system with data from both a coal-fired plant boiler dynamic simulation model and real-world coal-fired power plant covering multiple asset and fault types. Overall, the project attained a technology readiness level of TRL 5 from TRL 2 at the beginning of the project.

20 FOSSIL-FUELED POWER PLANTS↗

LLMs and GenAI Tools to Depict Contributions of Human Systems to Spaceflight Tasks Execution

Recent advancements in Artificial Intelligence and Machine Learning (AI/ML) technologies, particularly Large Language Models (LLMs) capable of sophisticated syntax analysis, offer substantial potential in automating complex processes, thereby saving time and human resources. This study explores the development of an LLM-driven model designed to analyze and categorize a diverse set of Mars mission tasks into 18 predefined Human System Task Categories (HSTCs) based on their textual descriptions. As part of developing the Crew Health and Performance – Probabilistic Risk Assessment (CHP-PRA projects Performance Risk Model (PRisM) proof-of-concept, we established a framework to project performance scores from small-scale tests onto a preliminary list of Mars tasks. The foundation of our model was a comprehensive spreadsheet populated by NASA experts and clinicians, which detailed each Mars task alongside binary indicators of HSTC involvement. This dataset enabled the initial application of supervised ML, training and testing on existing HSTC labels. The HSTCs were originally defined from a medical system perspective, focusing on task impairments due to deteriorated human health. To expand our model's scope to include categories impacting performance, we face the challenge of generating binary labels (0 or 1) for new categories without pre-existing data. We address this by employing Generative AI (GenAI) software to determine whether a given task involved a new category by asking, "Does task A involve using category B?" We validate our approach by comparing the GenAI's binary classifications with the expert-provided labels for existing HSTCs. Notably, we utilize Ollama [4], a locally hosted GenAI tool that does not require cloud access, thus safeguarding NASA's proprietary data from unauthorized exposure. This study demonstrates the feasibility of leveraging cutting-edge AI tools to advance research, paving the way for automation and rapid decision-making in space exploration.

Mona Matar↗

Towards Unlocking Insights from Logbooks Using AI

Electronic logbooks contain valuable information about activities and events concerning their associated particle accelerator facilities. However, the highly technical nature of logbook entries can hinder their usability and automation. As natural language processing (NLP) continues advancing, it offers opportunities to address various challenges that logbooks present. This work explores jointly testing a tailored Retrieval Augmented Generation (RAG) model for enhancing the usability of particle accelerator logbooks at institutes like DESY, BESSY, Fermilab, BNL, SLAC, LBNL and CERN. The RAG model uses a corpus built on logbook contributions and aims to unlock insights from these logbooks by leveraging retrieval over facility datasets, including discussion about potential multimodal sources. Our goals are to increase the FAIR-ness (findability, accessibility, interoperability, and reusability) of logbooks by exploiting their information content to streamline everyday use, to enable macro-analysis for root cause analysis, and to facilitate problem-solving automation.

43 PARTICLE ACCELERATORS↗

Towards Unlocking Insights from Logbooks Using AI

Electronic logbooks contain valuable information about activities and events concerning their associated particle accelerator facilities. However, the highly technical nature of logbook entries can hinder their usability and automation. As natural language processing (NLP) continues advancing, it offers opportunities to address various challenges that logbooks present. This work explores jointly testing a tailored Retrieval Augmented Generation (RAG) model for enhancing the usability of particle accelerator logbooks at institutes like DESY, BESSY, Fermilab, BNL, SLAC, LBNL, and CERN. The RAG model uses a corpus built on logbook contributions and aims to unlock insights from these logbooks by leveraging retrieval over facility datasets, including discussion about potential multimodal sources. Our goals are to increase the FAIR-ness (findability, accessibility, interoperability, and reusability) of logbooks by exploiting their information content to streamline everyday use, enable macro-analysis for root cause analysis, and facilitate problem-solving automation.

43 PARTICLE ACCELERATORS↗

Enhancing segmentation fairness through curriculum learning and progressive loss: a centralized and federated perspective on radiograph analysis

Bias in medical image segmentation can lead to unequal performance across demographic subgroups, raising concerns about fairness and reliability in clinical AI systems. While deep learning models have achieved high segmentation accuracy, ensuring equitable performance across race and gender remains a significant challenge, particularly in privacy-sensitive healthcare environments. This study investigates fairness-aware medical image segmentation for hip and knee radiographs using deep learning models evaluated in both centralized and Federated Learning (FL) settings. We introduce Curriculum Learning (CL) strategies and Progressive Loss (PL) functions to regulate sample difficulty during training. In addition, we propose two novel fairness-oriented federated learning algorithms, Federated Intersection over Union (FedIoU) and Federated Intersection over Union with Outlier Analysis (FedIoUoutlier). Experiments are conducted using multiple segmentation backbones and simulated multi-site data partitions derived from the Osteoarthritis Initiative dataset. Model performance is evaluated using Intersection over Union (IoU), IoU standard deviation, Skewed Error Ratio (SER), and Min-Max Disparity across race and gender subgroups. Statistical significance was verified using paired t-tests to compare per-sample IoU performance against baseline configurations. Across both hip and knee segmentation tasks, curriculum learning and progressive loss strategies consistently improved segmentation accuracy and reduced demographic performance disparities in centralized training. In federated settings, fairness-aware aggregation further enhanced performance. Notably, FedIoUoutlier combined with balanced curriculum learning and tiered progressive loss achieved the highest mean IoU while yielding the lowest SER and Min-Max Disparity, indicating improved fairness without sacrificing accuracy. In several configurations, federated models matched or exceeded the performance of optimized centralized models, with statistically significant improvements in per-sample IoU over baseline configurations. The results demonstrate that structured training strategies and fairness-aware federated aggregation can jointly improve accuracy, stability, and demographic fairness in medical image segmentation. By integrating curriculum learning, progressive loss, and novel FL algorithms, this work provides a practical pathway toward equitable and privacy-preserving AI systems for medical imaging.

97 MATHEMATICS AND COMPUTING↗

An AI-driven framework for evaluating local and state authorities’ permitting processes

The demand for new energy infrastructure is increasing across the United States, but heterogenous permitting processes and embedded requirements across different local jurisdictions can cause project delays, increase “soft costs,” and hinder developer expansion. This study analyzes the variability in local permitting requirements across the U.S. and develops a quantitative approach to describe their clarity and effectiveness in enabling infrastructure project development. By using an Energy Language Model (ELM), a large language model (LLM) for energy technologies, we systematically gathered permitting information from nearly 300 state-, county-, and city-level documents, creating a structured dataset of requirements and procedures on an unprecedented scale and speed. Our analysis revealed that local (city and county) permitting requirement documents are underrepresented compared to state-level guidance documents, which can impede timely and cost-effective installation of new electric infrastructure. Our validation process showed that the final database has an accuracy of approximately 95%. We, further, created a new quantitative method to score permitting requirements for clarity and efficiency, with electric vehicle supply equipment as an initial use case. The average local permitting document scored a 1.8 out of 5, which we interpret as meaning that half of the requirements developers face when installing electric infrastructure are ambiguous, increasing both cost and time. We also created a “Generalized Permit Process”, highlighting common procedural steps and identifying specific opportunities for municipalities to improve their documentation. This research establishes a systematic and scalable framework for evaluating the complexities of local infrastructure permitting processes by combining LLM-powered data collection and quantitative scoring. The framework enables policymakers and developers to identify and mitigate procedural bottlenecks, with the expectation that these improvements can accelerate application review and approval, reduce project costs, and expedite connection to utility distribution grids. As a foundational approach for streamlining local project development processes, this study’s methods are intended to be extended to a wide range of energy applications.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Understanding the Physics Representation of Deep Learning Models in Environmental Applications

Deep learning (DL) models have been popular in earth and environmental modeling and analysis, which exhibit huge potential in capturing and reconstructing the non-linearity of relevant environmental processes. They are extensively used as analytical tools or emulators for multiple domains (atmosphere, land surface, ocean, and biogeochemistry). Despite their success, their internal working mechanism remains largely unknown. Such a lack of knowledge hinders the identification of physically consistent models that are fully adaptive to non-stationary climate, as well as the development of physics-informed machine learning such as physics-informed neural network (PINN). To establish preliminary knowledge and framework of such physics representation evaluation, this project focuses on an improved understanding of DL models in the environmental applications. DL models are increasingly applied to environmental modeling and prediction. However, they have been evaluated mostly from a performance perspective, and there is a gap in understanding how they represent the known physics internally. Such knowledge is especially critical when applying DL models under climate change conditions, where new inputs are likely outside the ranges of the training datasets. In this project, we reveal how the known physical processes are represented within DL models from both statistical and mechanistic perspectives. Leveraging the traditional model evaluations that focus more on the accuracies of predictions, we establish a framework that examines both the accuracy and physics representation of DL models. This analysis framework can identify DL models that make the correct predictions based on correct physics, thus enhancing the existing explainable artificial intelligence (explainable-AI) portfolio. It lays a foundation for developing novel metrics to evaluate the emerging DL models in environmental applications. This knowledge also informs the development of physics-informed DL models by revealing the direct connections between the known physical processes and specific model components or structures.

54 ENVIRONMENTAL SCIENCES↗

Cognitive IoT and Edge Computing for Intrusion Detection with Federated TinyML

Internet of Things (IoT) and Edge Computing (EC) are rapidly becoming an integral part of the modern society. By 2030, there is estimated to be over 40 billion active and connected IoT devices [1]. This rapid progress also comes with a significant implication on cybersecurity. Back-end infrastructure and systems have a much broader attack than they did previously due to vulnerable IoT/EC devices being connected to wireless networks. This expanding attack surface is a growing concern because IoT/EC are increasingly being used in critical systems such as power grids, health care, and smart homes. To effectively address a problem of this scale, cognitive cyber methods—which can autonomously detect and react to cyber attacks as they develop—are needed. To address this, we bring Artificial Intelligence (AI) and Machine Learning (ML) to IoT/EC devices, using tinyML to monitor voluminous IoT data against cyber threats, and using Federated Learning (FL) to share local detection knowledge across the system while preserving privacy. We propose a novel three-layer architecture: (1) an IoT layer for tinyML-based inference, (2) an edge layer for ML model training, and (3) a cloud layer for FL operations. Using the publicly available 11-class N-BaIoT dataset [2], we demonstrate that this architecture mitigates resource constraints at the IoT layer while improving detection accuracy over standard two-layer designs. An outlier-resistant scaler, feature reduction, and quantization enable the tinyML model to maintain detection accuracy with a reduced model size. Additionally, federated learning that only utilizes the intersection (across heterogenous devices) of the reduced feature set achieves superior detection accuracy compared to locally trained models.

Li, Mingyan [ORNL] (ORCID:0009000569532640)↗

AI-accelerated protein-ligand docking for SARS-CoV-2 is 100-fold faster with no significant change in detection

Protein-ligand docking is a computational method for identifying drug leads. The method is capable of narrowing a vast library of compounds down to a tractable size for downstream simulation or experimental testing and is widely used in drug discovery. While there has been progress in accelerating scoring of compounds with artificial intelligence, few works have bridged these successes back to the virtual screening community in terms of utility and forward-looking development. We demonstrate the power of high-speed ML models by scoring 1 billion molecules in under a day (50 k predictions per GPU seconds). We showcase a workflow for docking utilizing surrogate AI-based models as a pre-filter to a standard docking workflow. Our workflow is ten times faster at screening a library of compounds than the standard technique, with an error rate less than 0.01% of detecting the underlying best scoring 0.1% of compounds. Our analysis of the speedup explains that another order of magnitude speedup must come from model accuracy rather than computing speed. In order to drive another order of magnitude of acceleration, we share a benchmark dataset consisting of 200 million 3D complex structures and 2D structure scores across a consistent set of 13 million “in-stock” molecules over 15 receptors, or binding sites, across the SARS-CoV-2 proteome. We believe this is strong evidence for the community to begin focusing on improving the accuracy of surrogate models to improve the ability to screen massive compound libraries 100 × or even 1000 × faster than current techniques and reduce missing top hits. The technique outlined aims to be a fast drop-in replacement for docking for screening billion-scale molecular libraries.

59 BASIC BIOLOGICAL SCIENCES↗

An Inventory of AI-ready Benchmark Data for US Fires, Heatwaves, and Droughts

Extreme weather events, including fires, heatwaves, and droughts, have significant impacts on earth, environmental, and energy systems. Mechanistic and predictive understanding, as well as probabilistic risk assessment of these extreme weather events, are crucial for detecting, planning for, and responding to these extremes. Records of extreme weather events provide an important data source for understanding present and future extremes, but the existing data needs preprocessing before it can be used for analysis. Moreover, there are many nonstandard metrics defining the levels of severity or impacts of extremes. In this study, we compile a comprehensive benchmark data inventory of extreme weather events, including fires, heatwaves, and droughts. The dataset covers the period from 2001 to 2020 with a daily temporal resolution and a spatial resolution of 0.5°×0.5° (~55km×55km) over the continental United States (CONUS), and a spatial resolution of 1km × 1km over the Pacific Northwest (PNW) region, together with the co-located and relevant meteorological variables. By exploring and summarizing the spatial and temporal patterns of these extremes in various forms of marginal, conditional, and joint probability distributions, we gain a better understanding of the characteristics of climate extremes. The resulting AI/ML-ready data products can be readily applied to ML-based research, fostering and encouraging AI/ML research in the field of extreme weather. This study can contribute significantly to the advancement of extreme weather research, aiding researchers, policymakers, and practitioners in developing improved preparedness and response strategies to protect communities and ecosystems from the adverse impacts of extreme weather events.

54 ENVIRONMENTAL SCIENCES↗

Designing resilient IoT and Edge Computing with federated tinyML

The rapid growth of the Internet of Things (IoT) and Edge Computing (EC) has brought significant conveniences to modern society but has also greatly expanded the cyber attack surfaces, particularly as these technologies are being increasingly integrated into critical systems such as power grids, healthcare, and smart homes. Here, to improve IoT/EC’s cybersecurity posture, we leveraged Artificial Intelligence (AI) and Machine Learning (ML) by employing tinyML to monitor voluminous IoT data for cyber threats while addressing devices’ resource constraints, and utilizing Federated Learning (FL) to share local detection knowledge across the system while preserving privacy. Building on our three-layer architecture combining tinyML and FL to enhance autonomous cyber attack detection, this paper demonstrated that the architecture improves detection accuracy, reduces resource consumption, and enables lightweight, secure IoT device monitoring. These results were validated using the public N-BaIoT dataset as well as real IoT network traffic data collected under multiple attack scenarios from our testbeds. Additionally, we introduced an enhanced FL methodology with a novel preprocessing stage, including federated feature selection and global preprocessor construction, to address IoT/EC data heterogeneity. We developed a physical IoT testbed for attack simulations and data collection, implemented a tinyML-powered detector for realistic model validation, and also built a virtual testbed for scalable evaluations of FL models across diverse network environments.

Cognitive cyber↗

VISIONARY: Virtual Intelligence System for Optimizing Novel Analytical Research Yields

VISIONARY is an AI system that accelerates energy materials discovery by automatically generating hypotheses about structure-property relationships. It analyzes patterns in materials data, identifies promising correlations, and proposes testable scientific hypotheses without human intervention. By streamlining this reasoning process, VISIONARY helps researchers efficiently identify candidate materials with desired properties, significantly speeding up the materials development pipeline for energy applications. During the project, we developed a standalone application. The application uses a combination of papers provided by the user and data collected from FutureHouse’s dataset to build an understanding of the background that the user wants to explore for the hypothesis.

36 MATERIALS SCIENCE↗

SBUV version 8.6 Retrieval Algorithm: Error Analysis and Validation Technique

SBUV version 8.6 algorithm was used to reprocess data from the Back Scattered Ultra Violet (BUV), the Solar Back Scattered Ultra Violet (SBUV) and a number of SBUV/2 instruments, which 'span a 41-year period from 1970 to 2011 (except a 5-year gap in the 1970s)[see Bhartia et al, 2012]. In the new version Daumont et al. [1992] ozone cross section were used, and new ozone [McPeters et ai, 2007] and cloud climatologies Doiner and Bhartia, 1995] were implemented. The algorithm uses the Optimum Estimation technique [Rodgers, 2000] to retrieve ozone profiles as ozone layer (partial column, DU) on 21 pressure layers. The corresponding total ozone values are calculated by summing ozone columns at individual layers. The algorithm is optimized to accurately retrieve monthly zonal mean (mzm) profiles rather than an individual profile, since it uses monthly zonal mean ozone climatology as the A Priori. Thus, the SBUV version 8.6 ozone dataset is better suited for long-term trend analysis and monitoring ozone changes rather than for studying short-term ozone variability. Here we discuss some characteristics of the SBUV algorithm and sources of error in the SBUV profile and total ozone retrievals. For the first time the Averaging Kernels, smoothing errors and weighting functions (or Jacobians) are included in the SBUV metadata. The Averaging Kernels (AK) represent the sensitivity of the retrieved profile to the true state and contain valuable information about the retrieval algorithm, such as Vertical Resolution, Degrees of Freedom for Signals (DFS) and Retrieval Efficiency [Rodgers, 2000]. Analysis of AK for mzm ozone profiles shows that the total number of DFS for ozone profiles varies from 4.4 to 5.5 out of 6-9 wavelengths used for retrieval. The number of wavelengths in turn depends on solar zenith angles. Between 25 and 0.5 hPa, where SBUV vertical resolution is the highest, DFS for individual layers are about 0.5.

Kramarova, N. A.↗

FAIR Framework for Physics-Inspired AI in High Energy Physics (Final Technical Report)

The main deliverable of this proposal was to publish data from high energy physics experiments in a FAIR format so that non-specialists could develop machine learning technologies using our data. The Minnesota team of Profs. Cushman, Furmanski and Rusack, from the high energy experiments CDMS, Micro-Boone and CMS, respectively, and Prof J. Sun from Computer Science worked to organize the data, to provide code to access the data, and where relevant provide documentation describing the data. The FAIR4HEP collaboration was formed with groups from UC San Diego, MIT, and the University of Illinois, with the principal investigator was Dr. Huerta. Collectively we collaborated on the publication of datasets from the LHC experiments. Members of the Minnesota group contributed to the common papers published by the collaboration

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗